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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL260829
CHEMBL260829
Compound Name NEFIRACETAM
ChEMBL Synonyms NEFIRACETAM
Max Phase 2
Trade Names
Molecular Formula C14H18N2O2

Additional synonyms for CHEMBL260829 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(C)c1NC(=O)CN2CCCC2=O
Standard InChI InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4 ...
Download InChI
Standard InChI Key NGHTXZCKLWZPGK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL260829

Molecule Features

CHEMBL260829 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov NEFIRACETAM
The Cochrane Collaboration NEFIRACETAM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL260829. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.993
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 0.971
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.960
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.888
CHEMBL244 Coagulation factor X Homo sapiens 0.817
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.707
CHEMBL2392 DNA polymerase beta Homo sapiens 0.618
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.507
CHEMBL5514 Huntingtin Homo sapiens 0.346



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.987
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 0.965
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.914
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.785
CHEMBL2392 DNA polymerase beta Homo sapiens 0.689
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.605
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.578
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.522
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.486
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.361
CHEMBL244 Coagulation factor X Homo sapiens 0.342
CHEMBL5514 Huntingtin Homo sapiens 0.314
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.276

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
246.3 246.1368 1.44 3 49.41 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.77 1.76 .64 .64 1 18 0.88

Structural Alerts

There are no structural alerts for CHEMBL260829

Compound Cross References

ChemSpider ChemSpider:NGHTXZCKLWZPGK-UHFFFAOYSA-N
PubChem SID: 144207070 SID: 144209114 SID: 144213342 SID: 170466286 SID: 174007185 SID: 90340767
Wikipedia Nefiracetam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL260829



ACToR 77191-36-7
ChEBI 135004
DrugBank DB13082
DrugCentral 3376
eMolecules 2728962
EPA CompTox Dashboard DTXSID2020923
FDA SRS 1JK12GX30N
IBM Patent System 300D3873B9EFBD669EC65B76714C8698
LINCS LSM-45762
Mcule MCULE-6030817685
MolPort MolPort-006-666-274
Nikkaji J277.768A
PubChem 71157
PubChem: Drugs of the Future 12013546
PubChem: Thomson Pharma 14823324
Selleck Nefiracetam(Translon)
SureChEMBL SCHEMBL135856
ZINC ZINC000000003788

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NGHTXZCKLWZPGK-UHFFFAOYSA-N spacer
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